4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride

C18H23ClN2O4 — CID 119345843

IUPAC4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride
SMILESCOc1cc(OC)cc(OCCNC(=O)c2ccc(CN)cc2)c1.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-22-15-9-16(23-2)11-17(10-15)24-8-7-20-18(21)14-5-3-13(12-19)4-6-14;/h3-6,9-11H,7-8,12,19H2,1-2H3,(H,20,21);1H
InChIKeyYQIJLRQQVZKISC-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.39
Rot. Bonds8

About 4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride

4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride (PubChem CID 119345843) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride
PubChem CID119345843
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride
SMILESCOc1cc(OC)cc(OCCNC(=O)c2ccc(CN)cc2)c1.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-22-15-9-16(23-2)11-17(10-15)24-8-7-20-18(21)14-5-3-13(12-19)4-6-14;/h3-6,9-11H,7-8,12,19H2,1-2H3,(H,20,21);1H
InChIKeyYQIJLRQQVZKISC-UHFFFAOYSA-N
XLogP2.39
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
CID 119271557
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
CID 119284651
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 46413657
2-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide
CID 113102048
N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099242
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 112975608

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride (CID 119345843) is 4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride is COc1cc(OC)cc(OCCNC(=O)c2ccc(CN)cc2)c1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride?
The InChIKey is YQIJLRQQVZKISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4.ClH/c1-22-15-9-16(23-2)11-17(10-15)24-8-7-20-18(21)14-5-3-13(12-19)4-6-14;/h3-6,9-11H,7-8,12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119345843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).